element(s):
['Si', 'Ti']
AFLOW prototype label:
AB_oC4_65_a_c
Parameter names:
['a', 'b/a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6945', '1.1769928', '1.0407362']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.  0.5]]
spacegroup =  65
cell =  [[3.6945, 0, 0], [0, 4.3484, 0], [0, 0, 3.845]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:43:07      -25.157525         2.977531
BFGS:    1 13:43:07      -25.299411         2.721140
BFGS:    2 13:43:07      -25.445209         2.417579
BFGS:    3 13:43:08      -25.572921         2.109271
BFGS:    4 13:43:08      -25.686957         1.794513
BFGS:    5 13:43:08      -25.791162         1.490747
BFGS:    6 13:43:08      -25.888528         1.814393
BFGS:    7 13:43:08      -25.975518         2.112528
BFGS:    8 13:43:08      -26.054121         2.360880
BFGS:    9 13:43:08      -26.139603         2.529300
BFGS:   10 13:43:08      -26.231928         2.624309
BFGS:   11 13:43:08      -26.325690         2.617397
BFGS:   12 13:43:08      -26.414454         2.539773
BFGS:   13 13:43:08      -26.498938         2.399699
BFGS:   14 13:43:08      -26.574668         2.224040
BFGS:   15 13:43:08      -26.645241         1.996941
BFGS:   16 13:43:08      -26.711937         1.723426
BFGS:   17 13:43:08      -26.774930         1.408320
BFGS:   18 13:43:08      -26.833099         1.205259
BFGS:   19 13:43:08      -26.883620         0.915380
BFGS:   20 13:43:08      -26.920947         0.514138
BFGS:   21 13:43:08      -26.932989         0.165223
BFGS:   22 13:43:08      -26.934389         0.080076
BFGS:   23 13:43:08      -26.934954         0.048528
BFGS:   24 13:43:08      -26.935052         0.042967
BFGS:   25 13:43:08      -26.935163         0.033150
BFGS:   26 13:43:08      -26.935278         0.019948
BFGS:   27 13:43:08      -26.935344         0.009777
BFGS:   28 13:43:08      -26.935356         0.003170
BFGS:   29 13:43:08      -26.935357         0.000316
BFGS:   30 13:43:08      -26.935357         0.000017
BFGS:   31 13:43:08      -26.935357         0.000000
BFGS:   32 13:43:09      -26.935357         0.000000
BFGS:   33 13:43:09      -26.935357         0.000000
Minimization converged after 33 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.115234010172469e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.5 0.  0.5]
 [0.  0.5 0.5]]
cellpar =  Cell([[4.3420082487177725, -5.890720535557492e-37, 0.0], [-7.827152363870002e-37, 4.3420082486190825, 0.0], [0.0, 0.0, 3.070263476548515]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.28630063e-11 -3.11523401e-11 -2.52635197e-11  0.00000000e+00
  0.00000000e+00 -6.53791351e-34]
energy per atom =  -6.733839267569636
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB_oC4_65_a_c, while relaxed is AB_cP2_221_a_b. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.